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5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine

C19H21F2N3O2 — CID 118616416

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2O[C@@H]2CCOC2)cn1
InChIInChI=1S/C19H21F2N3O2/c20-12-1-3-18(26-15-5-6-25-11-15)16(7-12)17-8-13(21)10-24(17)14-2-4-19(22)23-9-14/h1-4,7,9,13,15,17H,5-6,8,10-11H2,(H2,22,23)/t13-,15+,17+/m0/s1
InChIKeyJZRJLLSXUSABNJ-YSVLISHTSA-N
MW361.39 g/mol
LogP3.26
Rot. Bonds4

About 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine

5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine (PubChem CID 118616416) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine
PubChem CID118616416
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2O[C@@H]2CCOC2)cn1
InChIInChI=1S/C19H21F2N3O2/c20-12-1-3-18(26-15-5-6-25-11-15)16(7-12)17-8-13(21)10-24(17)14-2-4-19(22)23-9-14/h1-4,7,9,13,15,17H,5-6,8,10-11H2,(H2,22,23)/t13-,15+,17+/m0/s1
InChIKeyJZRJLLSXUSABNJ-YSVLISHTSA-N
XLogP3.26
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine?
The IUPAC name of 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine (CID 118616416) is 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine?
The canonical SMILES for 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine is Nc1ccc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2O[C@@H]2CCOC2)cn1.
What is the InChIKey of 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine?
The InChIKey is JZRJLLSXUSABNJ-YSVLISHTSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c20-12-1-3-18(26-15-5-6-25-11-15)16(7-12)17-8-13(21)10-24(17)14-2-4-19(22)23-9-14/h1-4,7,9,13,15,17H,5-6,8,10-11H2,(H2,22,23)/t13-,15+,17+/m0/s1.
What are the key properties of 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine?
5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine has a molecular weight of 361.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 118616416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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